SCHEMBL6094749

SCHEMBL6094749

Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3nc(C)c(-c4cccc(C(N)=O)c4)c3C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
PTGER4 P35408 9/20 0.51
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TBXA2R P21731 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
KDM1A O60341 1/20 0.42
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6099726 0.94 CA2 (0.50) CA1CA2CA12CA9PTGER4
SCHEMBL6097680 0.93 PTGER4 (0.51) CA1CA2CA12CA9PTGER4
SCHEMBL6097356 0.91 PTGER4 (0.50) CA1CA2CA12CA9PTGER4
SCHEMBL6098895 0.89 CA1 (0.46) CA1CA2CA12CA9PTGER4
SCHEMBL4446913 0.88 CA1 (0.56) CA1CA2CA12CA9PTGER4
SCHEMBL6095627 0.87 CA12 (0.59) CA1CA2CA12CA9PTGER4
SCHEMBL6099469 0.87 CA1 (0.43) CA1CA2CA12CA9PTGER4
SCHEMBL6096330 0.87 PTGER4 (0.55) CA1CA2CA12CA9PTGER4
SCHEMBL6097546 0.85 CA1 (0.41) CA1CA2CA12CA9PTGER4
SCHEMBL6096661 0.85 PTGER4 (0.55) CA1CA2CA12CA9PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR CA1 1837/4885CA2 230/4885CA12 2871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.